Geometry & MOs

Info

ID:	334274
PubChem CID:	127252826
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	413.11028
ΔH_f, kcal/mol:	-175.43
Dipole, Da:	3.94
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC(=O)NCCO)OC

DOS

IR

Vibrations